UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-butylphenyl)-5-(2-pyrazol-1-ylethylsulfanyl)tetrazole 1-(4-butylphenyl)-5-(2-pyrazol-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 9.78 -13.26 0 6 0 61 328.445 8 ↓

Analogs

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Popular Name: 1-phenyl-5-(2-pyrazol-1-ylethylsulfanyl)tetrazole 1-phenyl-5-(2-pyrazol-1-ylethyls…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.59 6.77 -14.27 0 6 0 61 272.337 5 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylsulfanyl)tetrazole 1-(4-chlorophenyl)-5-(2-pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.28 -12.37 0 6 0 61 306.782 5 ↓

Analogs

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Popular Name: 1-(p-tolyl)-5-(2-pyrazol-1-ylethylsulfanyl)tetrazole 1-(p-tolyl)-5-(2-pyrazol-1-yleth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 7.45 -13.69 0 6 0 61 286.364 5 ↓

Analogs

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Popular Name: 1-(m-tolyl)-5-(2-pyrazol-1-ylethylsulfanyl)tetrazole 1-(m-tolyl)-5-(2-pyrazol-1-yleth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 7.42 -14.09 0 6 0 61 286.364 5 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-5-(2-pyrazol-1-ylethylsulfanyl)tetrazole 1-(3-fluorophenyl)-5-(2-pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 6.83 -12.71 0 6 0 61 290.327 5 ↓

Parameters Provided:

ring.id = 203618
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 203618 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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